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  •   University of Thessaly Institutional Repository
  • Επιστημονικές Δημοσιεύσεις Μελών ΠΘ (ΕΔΠΘ)
  • Δημοσιεύσεις σε περιοδικά, συνέδρια, κεφάλαια βιβλίων κλπ.
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  •   University of Thessaly Institutional Repository
  • Επιστημονικές Δημοσιεύσεις Μελών ΠΘ (ΕΔΠΘ)
  • Δημοσιεύσεις σε περιοδικά, συνέδρια, κεφάλαια βιβλίων κλπ.
  • View Item
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A DERIVATION OF MOLECULAR VIBRATIONAL-ROTATIONAL HAMILTONIANS

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Author
Calogeracos, A.; Castillejo, L.
Date
1993
DOI
10.1080/00268979300103081
Keyword
Physics, Atomic, Molecular & Chemical
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Abstract
The problem of collective molecular coordinates is examined within the Hamiltonian formalism by enlarging the number of degrees of freedom and transforming the model to a gauge theory (a theory where the solutions to the equations of motion include arbitrary functions of time). It turns out that in the case of a nonlinear molecule and within the harmonic approximation the most appropriate gauge fixing conditions are the Eckart conditions; thus the Wilson-Howard Hamiltonian is derived. The case of a linear molecule is examined as a second application, and it is found that there are two reasonable gauge choices. The question of the linear molecule as the limiting case of a nonlinear one is also elucidated.
URI
http://hdl.handle.net/11615/26502
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  • Δημοσιεύσεις σε περιοδικά, συνέδρια, κεφάλαια βιβλίων κλπ. [19705]
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